CID 3043235

Brn 0871471

Structural Information

Molecular Formula
C28H42N6O4
SMILES
CCOC1=CC=CC=C1NC(=O)NCCCN2CCN(CC2)CCCNC(=O)NC3=CC=CC=C3OCC
InChI
InChI=1S/C28H42N6O4/c1-3-37-25-13-7-5-11-23(25)31-27(35)29-15-9-17-33-19-21-34(22-20-33)18-10-16-30-28(36)32-24-12-6-8-14-26(24)38-4-2/h5-8,11-14H,3-4,9-10,15-22H2,1-2H3,(H2,29,31,35)(H2,30,32,36)
InChIKey
HKFGEWDFXRKTNO-UHFFFAOYSA-N
Compound name
1-(2-ethoxyphenyl)-3-[3-[4-[3-[(2-ethoxyphenyl)carbamoylamino]propyl]piperazin-1-yl]propyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

526.3268 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.33408 226.0
[M+Na]+ 549.31602 223.2
[M-H]- 525.31952 230.4
[M+NH4]+ 544.36062 226.7
[M+K]+ 565.28996 219.3
[M+H-H2O]+ 509.32406 212.3
[M+HCOO]- 571.32500 243.2
[M+CH3COO]- 585.34065 256.1
[M+Na-2H]- 547.30147 225.8
[M]+ 526.32625 225.0
[M]- 526.32735 225.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.